SCHEMBL1327286

SCHEMBL1327286

CCCC(Oc1cccc(OCC)c1)c1cnc(-c2c(CC)cccc2CC)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
ENPP3 O14638 1/20 0.36
MAPK1 P28482 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DHFR P00374 1/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
CREBBP Q92793 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1327067 0.89 RXRA (0.35) ENPP3MAPK1L3MBTL1TSHRTDP1
SCHEMBL2141456 0.81 C5AR1 (0.33)
SCHEMBL1327746 0.79 C5AR1 (0.31)
SCHEMBL1327187 0.78 C5AR1 (0.35)
SCHEMBL1326819 0.78 MAPK1 (0.36) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL1327217 0.78 KMT2A (0.44) KDM4CTP53
SCHEMBL1327009 0.78 CCNC (0.36) L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL1328050 0.77 KDM4C (0.33) L3MBTL1ALDH1A1LMNAKDM4CMAPT
SCHEMBL1327155 0.77 CREBBP (0.38) L3MBTL1TSHRTDP1ALDH1A1CREBBP
SCHEMBL1328777 0.77 KCNB1 (0.36) MAPK1L3MBTL1TSHRTDP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 DHODH 3637/4885ENPP3 1134/4885MAPK1 1309/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DHODH 3637/4885ENPP3 1134/4885MAPK1 1309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.